Calactin
TL;DR: Calactin (CAS 20304-47-6) is a chemical compound with molecular formula C29H40O9 and molecular weight 532.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,10S,12R,19R,22S)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
Also Known As: Calactin, Pecilocerin B, NCI60_017565, (1r,3as,6ar,7as,11as,12ar)-3a,11,11a-trihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-7ah,13ah-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde
| Molecular Formula | C29H40O9 |
|---|---|
| Molecular Weight | 532.27 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 532.2672 |
| Heavy Atoms | 38 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 20304-47-6 |
|---|---|
| SMILES | CC1CC([C@]2([C@@H](O1)O[C@@H]3CC4CCC5C(C4(C[C@H]3O2)C=O)CCC6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O |
| InChIKey | OWPWFVVPBYFKBG-AMJZKRQHSA-N |
Product Overview
Calactin (CAS 20304-47-6), with molecular formula C29H40O9 and molecular weight 532.27 g/mol. IUPAC: (3R,5S,10S,12R,19R,22S)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde.
Chemical Property Profile of Calactin
Property Insights of Calactin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calactin. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calactin. Following Lipinski's Rule of Five, Calactin has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calactin?
The CAS number of Calactin is 20304-47-6.
What is the molecular formula of Calactin?
The molecular formula of Calactin is C29H40O9.
What is the molecular weight of Calactin?
The molecular weight of Calactin is 532.27 g/mol.
Where can I buy Calactin?
You can request a quote for Calactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calactin?
Yes, KEHONG BIO provides custom synthesis services for Calactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.